(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one

C162H141F21N16O11S — CID 159180446

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C3=CCCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CNCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3cc(C)c(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.Cc1cc2ncn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(S(=O)(=O)CC4CC4)c3)c2cc1C.Cc1ccc(-c2cncnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C35H33F2N3O3S.C33H27F6N3O2.C33H28F2N2O3.C31H26F6N4O2.C30H27F5N4O/c1-22-11-33-34(12-23(22)2)40(21-39-33)19-30(41)16-27(13-25-14-28(36)18-29(37)15-25)35-32(7-4-10-38-35)26-5-3-6-31(17-26)44(42,43)20-24-8-9-24;1-19(43)28-15-22(8-9-30(28)36)27-7-4-10-40-31(27)23(11-20-12-24(34)16-25(35)13-20)14-26(44)17-42-18-29(21-5-2-3-6-21)32(41-42)33(37,38)39;1-19-11-24-8-9-25(31(24)37-33(19)40)16-29(39)17-26(12-21-13-27(34)18-28(35)14-21)32-30(7-4-10-36-32)23-6-3-5-22(15-23)20(2)38;1-17(42)26-13-19(4-5-27(26)34)24-3-2-7-39-29(24)20(9-18-10-21(32)14-22(33)11-18)12-23(43)16-41-28-15-38-8-6-25(28)30(40-41)31(35,36)37;1-18-6-8-20(9-7-18)26-15-36-17-37-28(26)21(10-19-11-22(31)14-23(32)12-19)13-24(40)16-39-27-5-3-2-4-25(27)29(38-39)30(33,34)35/h3-7,10-12,14-15,17-18,21,24,27H,8-9,13,16,19-20H2,1-2H3;4-5,7-10,12-13,15-16,18,23H,2-3,6,11,14,17H2,1H3;3-7,9-11,13-15,18,26H,8,12,16-17H2,1-2H3,(H,37,40);2-5,7,10-11,13-14,20,38H,6,8-9,12,15-16H2,1H3;6-9,11-12,14-15,17,21H,2-5,10,13,16H2,1H3/t27-;23-;26-;20-;21-/m11111/s1
InChIKeyKMUYFRRGEHKRMH-HVWBUQNKSA-N
MW2919.04 g/mol
LogP34.87
Rot. Bonds47

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (PubChem CID 159180446) has the molecular formula C162H141F21N16O11S and a molecular weight of 2919.04 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
PubChem CID159180446
Molecular FormulaC162H141F21N16O11S
Molecular Weight2919.04 g/mol
Exact Mass2917.04
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C3=CCCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CNCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3cc(C)c(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.Cc1cc2ncn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(S(=O)(=O)CC4CC4)c3)c2cc1C.Cc1ccc(-c2cncnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C35H33F2N3O3S.C33H27F6N3O2.C33H28F2N2O3.C31H26F6N4O2.C30H27F5N4O/c1-22-11-33-34(12-23(22)2)40(21-39-33)19-30(41)16-27(13-25-14-28(36)18-29(37)15-25)35-32(7-4-10-38-35)26-5-3-6-31(17-26)44(42,43)20-24-8-9-24;1-19(43)28-15-22(8-9-30(28)36)27-7-4-10-40-31(27)23(11-20-12-24(34)16-25(35)13-20)14-26(44)17-42-18-29(21-5-2-3-6-21)32(41-42)33(37,38)39;1-19-11-24-8-9-25(31(24)37-33(19)40)16-29(39)17-26(12-21-13-27(34)18-28(35)14-21)32-30(7-4-10-36-32)23-6-3-5-22(15-23)20(2)38;1-17(42)26-13-19(4-5-27(26)34)24-3-2-7-39-29(24)20(9-18-10-21(32)14-22(33)11-18)12-23(43)16-41-28-15-38-8-6-25(28)30(40-41)31(35,36)37;1-18-6-8-20(9-7-18)26-15-36-17-37-28(26)21(10-19-11-22(31)14-23(32)12-19)13-24(40)16-39-27-5-3-2-4-25(27)29(38-39)30(33,34)35/h3-7,10-12,14-15,17-18,21,24,27H,8-9,13,16,19-20H2,1-2H3;4-5,7-10,12-13,15-16,18,23H,2-3,6,11,14,17H2,1H3;3-7,9-11,13-15,18,26H,8,12,16-17H2,1-2H3,(H,37,40);2-5,7,10-11,13-14,20,38H,6,8-9,12,15-16H2,1H3;6-9,11-12,14-15,17,21H,2-5,10,13,16H2,1H3/t27-;23-;26-;20-;21-/m11111/s1
InChIKeyKMUYFRRGEHKRMH-HVWBUQNKSA-N
XLogP34.87
TPSA364.21 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds47
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.04
LogP ≤ 534.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (CID 159180446) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C3=CCCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CNCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3cc(C)c(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.Cc1cc2ncn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(S(=O)(=O)CC4CC4)c3)c2cc1C.Cc1ccc(-c2cncnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?
The InChIKey is KMUYFRRGEHKRMH-HVWBUQNKSA-N. The full InChI is InChI=1S/C35H33F2N3O3S.C33H27F6N3O2.C33H28F2N2O3.C31H26F6N4O2.C30H27F5N4O/c1-22-11-33-34(12-23(22)2)40(21-39-33)19-30(41)16-27(13-25-14-28(36)18-29(37)15-25)35-32(7-4-10-38-35)26-5-3-6-31(17-26)44(42,43)20-24-8-9-24;1-19(43)28-15-22(8-9-30(28)36)27-7-4-10-40-31(27)23(11-20-12-24(34)16-25(35)13-20)14-26(44)17-42-18-29(21-5-2-3-6-21)32(41-42)33(37,38)39;1-19-11-24-8-9-25(31(24)37-33(19)40)16-29(39)17-26(12-21-13-27(34)18-28(35)14-21)32-30(7-4-10-36-32)23-6-3-5-22(15-23)20(2)38;1-17(42)26-13-19(4-5-27(26)34)24-3-2-7-39-29(24)20(9-18-10-21(32)14-22(33)11-18)12-23(43)16-41-28-15-38-8-6-25(28)30(40-41)31(35,36)37;1-18-6-8-20(9-7-18)26-15-36-17-37-28(26)21(10-19-11-22(31)14-23(32)12-19)13-24(40)16-39-27-5-3-2-4-25(27)29(38-39)30(33,34)35/h3-7,10-12,14-15,17-18,21,24,27H,8-9,13,16,19-20H2,1-2H3;4-5,7-10,12-13,15-16,18,23H,2-3,6,11,14,17H2,1H3;3-7,9-11,13-15,18,26H,8,12,16-17H2,1-2H3,(H,37,40);2-5,7,10-11,13-14,20,38H,6,8-9,12,15-16H2,1H3;6-9,11-12,14-15,17,21H,2-5,10,13,16H2,1H3/t27-;23-;26-;20-;21-/m11111/s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one has a molecular weight of 2919.04 g/mol, XLogP of 34.87, 47 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is sourced from PubChem (CID 159180446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).